Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.2045    0.6753    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3165    0.2962   -0.2739 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662    0.2171   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5408    0.4824    1.1311 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9927   -0.1665   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4713   -0.4386   -2.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -0.2544   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    1.0911   -0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838    1.0223   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8082   -0.0699    0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2909   -1.3801    0.2877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729   -1.2790    0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664    1.7357    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0116   -0.0020    1.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615    0.5342    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -0.7309   -3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5314   -0.3802   -2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9561   -0.6301   -1.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029    1.5623    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    1.7300   -1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8068    1.9812    0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.8565   -1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    0.1420    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718   -0.0809    1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5799   -1.4848   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6619   -2.2599    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161   -0.9332    1.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245   -2.2357   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers